Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50367055
Substrate
n/a
Meas. Tech.
ChEBML_54601
Ki
0.004000±n/a nM
Citation
 Piper, JR; McCaleb, GS; Montgomery, JA; Kisliuk, RL; Gaumont, Y; Sirotnak, FM 10-Propargylaminopterin and alkyl homologues of methotrexate as inhibitors of folate metabolism. J Med Chem 25:877-80 (1982) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_MOUSE | Dhfr
Type:
Enzyme
Mol. Mass.:
21608.82
Organism:
Mus musculus (Mouse)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50367055
Synonyms:
4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTERIN | Aminopteroylglutamic acid
Type:
Small organic molecule
Emp. Form.:
C19H20N8O5
Mol. Mass.:
440.4127
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Structure:
Search PDB for entries with ligand similarity: